sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.900 Å
X-ray
2010-10-27
| Name: | Serum albumin |
|---|---|
| ID: | ALBU_HUMAN |
| AC: | P02768 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 48.272 |
|---|---|
| Number of residues: | 31 |
| Including | |
| Standard Amino Acids: | 31 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 1.402 | 438.750 |
| % Hydrophobic | % Polar |
|---|---|
| 56.92 | 43.08 |
| According to VolSite | |
| HET Code: | 9DS |
|---|---|
| Formula: | C15H17N2O4S |
| Molecular weight: | 321.371 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 67.84 % |
| Polar Surface area: | 89.13 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 5 |
| H-Bond Donors: | 0 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 5 |
| X | Y | Z |
|---|---|---|
| 8.16868 | 2.11386 | -15.4529 |
Image generated by PoseView
Represent the protein/ligand binding mode, centered on the ligand
Dashed lines represents hydrogen bonds and metal interactions
Green residue labels for amino acids with hydrophobic contacts (green lines) to the ligand
| Ligand | Protein | Interaction | |||
|---|---|---|---|---|---|
| Atom | Atom | Residue | Distance (Å) | Angle (°) | Type |
| CA | CD2 | LEU- 387 | 4.36 | 0 | Hydrophobic |
| C18 | CG | LEU- 387 | 3.7 | 0 | Hydrophobic |
| C22 | CD1 | ILE- 388 | 4.37 | 0 | Hydrophobic |
| C19 | CD1 | ILE- 388 | 3.69 | 0 | Hydrophobic |
| C23 | CB | ASN- 391 | 3.52 | 0 | Hydrophobic |
| C20 | CB | ASN- 391 | 3.83 | 0 | Hydrophobic |
| C19 | CB | ASN- 391 | 3.77 | 0 | Hydrophobic |
| C23 | SG | CYS- 392 | 3.65 | 0 | Hydrophobic |
| C22 | SG | CYS- 392 | 3.89 | 0 | Hydrophobic |
| C6 | CD2 | LEU- 407 | 3.42 | 0 | Hydrophobic |
| C12 | CD2 | LEU- 407 | 3.8 | 0 | Hydrophobic |
| C13 | CD1 | LEU- 407 | 3.93 | 0 | Hydrophobic |
| O9 | OH | TYR- 411 | 2.58 | 159.04 | H-Bond (Protein Donor) |
| O | NZ | LYS- 414 | 3.1 | 162.4 | H-Bond (Protein Donor) |
| O | NZ | LYS- 414 | 3.1 | 0 | Ionic (Protein Cationic) |
| OXT | NZ | LYS- 414 | 3.53 | 0 | Ionic (Protein Cationic) |
| C13 | CB | LEU- 430 | 4.1 | 0 | Hydrophobic |
| C14 | CB | VAL- 433 | 4.16 | 0 | Hydrophobic |
| C22 | CG1 | VAL- 433 | 4.13 | 0 | Hydrophobic |
| C23 | SG | CYS- 438 | 3.62 | 0 | Hydrophobic |
| C22 | SG | CYS- 438 | 4.2 | 0 | Hydrophobic |
| C22 | CB | ALA- 449 | 3.6 | 0 | Hydrophobic |
| C13 | CD2 | LEU- 453 | 3.89 | 0 | Hydrophobic |
| C17 | CD1 | LEU- 453 | 3.88 | 0 | Hydrophobic |
| CA | CB | SER- 489 | 4.39 | 0 | Hydrophobic |
